(Q27115816)

1-O-(1Z-tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine (English)

6 October 2016

chemical formula

C₄₀H₇₉NO₇P⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCC=COCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC

1 reference

1-O-(1Z-tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine (English)

6 October 2016

isomeric SMILES

CCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC

1 reference

1-O-(1Z-tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine (English)

InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-40(42)48-39(38-47-49(43,44)46-36-34-41(3,4)5)37-45-35-32-30-28-26-24-19-17-15-13-11-9-7-2/h20-21,32,35,39H,6-19,22-31,33-34,36-38H2,1-5H3/p+1/b21-20-,35-32-/t39-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

1-O-(1Z-tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine (English)

CDELFBJJHZJURR-JDTLOSAXSA-O

6 October 2016

InChIKey

2 references

1-O-(1Z-tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(7R,17Z)-4-Hydroxy-N,N,N-trimethyl-9-oxo-7-{[(1Z)-1-tetradecen-1-yloxy]methyl}-3,5,8-trioxa-4-phosphahexacos-17-en-1-aminium 4-oxide (English)

6 October 2016

1 reference

1-O-(1Z-tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine (English)

6 October 2016

ChEBI ID

34110

mapping relation type

1 reference

1-O-[(Z)-tetradec-1-enyl]-2-O-[(Z)-octadec-9-enoyl]-sn-glycero-3-phosphocholine (English)

6 October 2016

1 reference

1 reference